Geometry & MOs

Info

ID:	228386
PubChem CID:	87564150
Reduced:	BrSSiO3C15H23 (1)
Stoich.:	ABCD3E15F23 (1)
Weight, g/mol:	296.183503
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	7.44
IP(EA), eV:	-7.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropyl heptanoate;propane-1,2,3-triol

Drug info:

PubChemData

Smile

COCCCOC1=CC(=C(C=C1)Br)CCO[Si]CCCS

DOS

IR

Vibrations